Drug Information

Drug ID:  NPD4908
Drug Name:  NV-196
Molecular Formula:  C22H20O4
Canonical SMILES:  COc1ccc(cc1)[C@@H]1[C@@H](COc2c1ccc(c2)O)c1ccc(cc1)O
Standard InCHI:  InChI=1S/C22H20O4/c1-25-18-9-4-15(5-10-18)22-19-11-8-17(24)12-21(19)26-13-20(22)14-2-6-16(23)7-3-14/h2-12,20,22-24H,13H2,1H3/t20-,22-/m0/s1
Standard InCHIKey:  KQCJZAUNKSGEFM-UNMCSNQZSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD4908

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9672 NPC50315
High Similarity 0.9672 NPC230479
High Similarity 0.9672 NPC26879
High Similarity 0.9672 NPC283049
High Similarity 0.9528 NPC476615
High Similarity 0.9528 NPC476617
High Similarity 0.9528 NPC476616
High Similarity 0.9516 NPC53986
High Similarity 0.9516 NPC38664
High Similarity 0.9444 NPC293203
High Similarity 0.9444 NPC244888
High Similarity 0.9444 NPC118683
High Similarity 0.9444 NPC68205
High Similarity 0.9444 NPC164804
High Similarity 0.9444 NPC211413
High Similarity 0.944 NPC93962
High Similarity 0.9426 NPC38761
High Similarity 0.9426 NPC76465
High Similarity 0.9421 NPC54972
High Similarity 0.9421 NPC193364
High Similarity 0.938 NPC471522
High Similarity 0.936 NPC39064
High Similarity 0.936 NPC47283
High Similarity 0.9344 NPC100099
High Similarity 0.9344 NPC36016
High Similarity 0.9308 NPC470308
High Similarity 0.9308 NPC470307
High Similarity 0.9297 NPC77196
High Similarity 0.9291 NPC228369
High Similarity 0.9291 NPC236014
High Similarity 0.9291 NPC280653
High Similarity 0.9291 NPC129784
High Similarity 0.9291 NPC17343
High Similarity 0.9291 NPC12875
High Similarity 0.9291 NPC129106
High Similarity 0.9291 NPC476166
High Similarity 0.9291 NPC164574
High Similarity 0.9291 NPC268917
High Similarity 0.9291 NPC150011
High Similarity 0.9291 NPC206224
High Similarity 0.9291 NPC207892
High Similarity 0.9291 NPC118114
High Similarity 0.9291 NPC196765
High Similarity 0.9291 NPC300875
High Similarity 0.9274 NPC102540
High Similarity 0.9274 NPC188022
High Similarity 0.9274 NPC285040
High Similarity 0.9274 NPC17809
High Similarity 0.9274 NPC103420
High Similarity 0.9225 NPC223008
High Similarity 0.9225 NPC225696
High Similarity 0.9225 NPC115335
High Similarity 0.9225 NPC198154
High Similarity 0.9225 NPC296915
High Similarity 0.9225 NPC97834
High Similarity 0.9225 NPC473107
High Similarity 0.9219 NPC13005
High Similarity 0.9213 NPC27187
High Similarity 0.9213 NPC470225
High Similarity 0.9206 NPC274717
High Similarity 0.92 NPC276212
High Similarity 0.92 NPC471215
High Similarity 0.92 NPC262573
High Similarity 0.9194 NPC134195
High Similarity 0.9194 NPC197351
High Similarity 0.9194 NPC106914
High Similarity 0.9194 NPC86502
High Similarity 0.9194 NPC246648
High Similarity 0.9154 NPC125579
High Similarity 0.9154 NPC15109
High Similarity 0.9154 NPC11727
High Similarity 0.9147 NPC92805
High Similarity 0.9147 NPC469610
High Similarity 0.9141 NPC472590
High Similarity 0.9141 NPC271945
High Similarity 0.9141 NPC8899
High Similarity 0.9141 NPC181497
High Similarity 0.9141 NPC162801
High Similarity 0.9134 NPC471518
High Similarity 0.9134 NPC134360
High Similarity 0.9134 NPC471519
High Similarity 0.9127 NPC149796
High Similarity 0.912 NPC113495
High Similarity 0.9098 NPC93398
High Similarity 0.9098 NPC8283
High Similarity 0.9098 NPC258979
High Similarity 0.9084 NPC141717
High Similarity 0.907 NPC469611
High Similarity 0.9055 NPC87224
High Similarity 0.9055 NPC222572
High Similarity 0.904 NPC256015
High Similarity 0.904 NPC294156
High Similarity 0.9016 NPC295259
High Similarity 0.9016 NPC59561
High Similarity 0.9016 NPC172253
High Similarity 0.9 NPC85435
High Similarity 0.8992 NPC471517
High Similarity 0.8992 NPC473309
High Similarity 0.8992 NPC103799
High Similarity 0.8984 NPC96719
High Similarity 0.8984 NPC222108
High Similarity 0.8955 NPC178054
High Similarity 0.8955 NPC100482
High Similarity 0.8955 NPC277331
High Similarity 0.8947 NPC475836
High Similarity 0.8939 NPC248727
High Similarity 0.8939 NPC18189
High Similarity 0.8939 NPC162659
High Similarity 0.8939 NPC262585
High Similarity 0.8939 NPC173660
High Similarity 0.8939 NPC265433
High Similarity 0.8939 NPC20829
High Similarity 0.8939 NPC270456
High Similarity 0.8934 NPC74821
High Similarity 0.8931 NPC124085
High Similarity 0.8931 NPC317380
High Similarity 0.8931 NPC117048
High Similarity 0.8926 NPC85292
High Similarity 0.8926 NPC229147
High Similarity 0.8926 NPC54507
High Similarity 0.8915 NPC254000
High Similarity 0.8897 NPC475492
High Similarity 0.8881 NPC174787
High Similarity 0.8881 NPC213607
High Similarity 0.8881 NPC182509
High Similarity 0.8872 NPC474687
High Similarity 0.8864 NPC195022
High Similarity 0.8855 NPC11060
High Similarity 0.8846 NPC282508
High Similarity 0.8843 NPC464
High Similarity 0.8843 NPC185541
High Similarity 0.8832 NPC475719
High Similarity 0.8832 NPC43716
High Similarity 0.8832 NPC101255
High Similarity 0.8828 NPC473134
High Similarity 0.8828 NPC46978
High Similarity 0.8819 NPC167571
High Similarity 0.8819 NPC278552
High Similarity 0.8819 NPC207179
High Similarity 0.8815 NPC5155
High Similarity 0.881 NPC474160
High Similarity 0.8806 NPC245207
High Similarity 0.8806 NPC70682
High Similarity 0.8806 NPC260741
High Similarity 0.8806 NPC127218
High Similarity 0.8806 NPC319647
High Similarity 0.8806 NPC471388
High Similarity 0.8806 NPC25966
High Similarity 0.88 NPC476633
High Similarity 0.88 NPC97432
High Similarity 0.88 NPC190454
High Similarity 0.8797 NPC3049
High Similarity 0.8797 NPC234952
High Similarity 0.878 NPC131118
High Similarity 0.875 NPC170485
High Similarity 0.875 NPC2613
High Similarity 0.875 NPC204347
High Similarity 0.875 NPC475891
High Similarity 0.875 NPC59841
High Similarity 0.8741 NPC27495
High Similarity 0.8741 NPC309124
High Similarity 0.8741 NPC22317
High Similarity 0.8741 NPC184797
High Similarity 0.874 NPC159132
High Similarity 0.874 NPC270030
High Similarity 0.8731 NPC276490
High Similarity 0.8731 NPC211549
High Similarity 0.873 NPC150026
High Similarity 0.8722 NPC151224
High Similarity 0.8722 NPC473413
High Similarity 0.8722 NPC121812
High Similarity 0.8722 NPC61946
High Similarity 0.8722 NPC474206
High Similarity 0.8722 NPC94750
High Similarity 0.8722 NPC470356
High Similarity 0.8722 NPC112246
High Similarity 0.8722 NPC112939
High Similarity 0.872 NPC102639
High Similarity 0.8712 NPC215037
High Similarity 0.8699 NPC69261
High Similarity 0.8699 NPC474933
High Similarity 0.8699 NPC33270
High Similarity 0.8692 NPC472797
High Similarity 0.8686 NPC173203
High Similarity 0.8686 NPC163508
High Similarity 0.8676 NPC35216
High Similarity 0.8676 NPC471389
High Similarity 0.8672 NPC81641
High Similarity 0.8667 NPC473739
High Similarity 0.8667 NPC232164
High Similarity 0.8667 NPC32630
High Similarity 0.8667 NPC236306
High Similarity 0.8661 NPC96940
High Similarity 0.8657 NPC474639
High Similarity 0.8657 NPC230734
High Similarity 0.8657 NPC16435
High Similarity 0.8657 NPC306441
High Similarity 0.8657 NPC227503
High Similarity 0.8647 NPC131950
High Similarity 0.8647 NPC66840

Drug Structure

External Identifiers

TTD   DIB002789
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  348.14
ALogP  -1.4225
MLogP  3.44
XLogP  4.686
HDA  0
HBD  2
Rotatable Bonds  6
TPSA  58.92
RO5 Violation  0